Positive charge carriers stabilize instantly in key solar fuel catalyst

In a study appearing in Physical Chemistry Chemical Physics, researchers used quantum-chemical molecular dynamics simulations ...

GATE Life Sciences Syllabus 2026, Check GATE XL Important Topics, Download PDF

This year, the GATE Life Sciences 2026 exam will be organised by IIT Guwahati. The official GATE Life Sciences syllabus PDF ...
The Lancet

Physical activity and polluted air: implications for COPD prevention and policy

Regular physical activity reduces the risk of chronic obstructive pulmonary disease (COPD)1 and improves the prognosis in affected patients.2 In contrast, ambient air pollution, is a substantial risk ...
C&EN

The Journal of Physical Chemistry C

Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to ...
C&EN

Vacancy Defect-Assisted Enhanced Nitrogen Fixation in Metal-Free 2D Orthorhombic Boron Nitride: Insights from Nonadiabatic Molecular Dynamics Simulations

The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jpclett.5c02032. AIMD simulations of SV-B and SV-N in the canonical ...
C&EN

AI tool uses team approach to solve quantum chemistry problems

Quantum chemistry calculations offer the best combination of efficiency and accuracy for predicting molecular properties. But the complexity of density functional theory and other methods makes them ...